1-(3-chloranyl-4-methyl-phenyl)-3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]thiourea Openeye Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(3-chloro-4-methyl-phenyl)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]thiourea IUPAC Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(3-chloro-4-methylphenyl)thiourea Traditional Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2C[NH+](CCO2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3OS/c1-15-7-8-17(11-19(15)21)23-20(26)22-12-18-14-24(9-10-25-18)13-16-5-3-2-4-6-16/h2-8,11,18H,9-10,12-14H2,1H3,(H2,22,23,26)/p+1/t18-/m0/s1